USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 409 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 PHE N :NH3+ -150:sc= 0.0154 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -0.309 X(o=-0.31,f=-0.065) USER MOD Single : A 4 GLN : amide:sc= -10.4! C(o=-10!,f=-13!) USER MOD Single : A 5 HIS : no HE2:sc= -11.4! C(o=-11!,f=-12!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot -120:sc= -2.07! USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.947! USER MOD Single : A 30 THR OG1 : rot -110:sc= 0.494 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.0054) USER MOD Single : A 44 HIS :FLIP no HD1:sc= -3.03! C(o=-7.9!,f=-3!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -3.41! C(o=-3.4!,f=-8.2!) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.0092) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -1.77 K(o=-1.8,f=-9!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 12.930 0.908 -2.297 1.00 0.00 N ATOM 2 CA PHE A 1 11.858 1.936 -2.412 1.00 0.00 C ATOM 3 C PHE A 1 12.248 3.173 -1.600 1.00 0.00 C ATOM 4 O PHE A 1 13.189 3.150 -0.832 1.00 0.00 O ATOM 5 CB PHE A 1 10.543 1.368 -1.878 1.00 0.00 C ATOM 6 CG PHE A 1 9.425 1.731 -2.824 1.00 0.00 C ATOM 7 CD1 PHE A 1 9.603 1.583 -4.206 1.00 0.00 C ATOM 8 CD2 PHE A 1 8.212 2.221 -2.322 1.00 0.00 C ATOM 9 CE1 PHE A 1 8.569 1.925 -5.086 1.00 0.00 C ATOM 10 CE2 PHE A 1 7.177 2.562 -3.202 1.00 0.00 C ATOM 11 CZ PHE A 1 7.356 2.415 -4.584 1.00 0.00 C ATOM 0 H1 PHE A 1 12.957 0.336 -3.165 1.00 0.00 H new ATOM 0 H2 PHE A 1 13.848 1.377 -2.163 1.00 0.00 H new ATOM 0 H3 PHE A 1 12.734 0.292 -1.482 1.00 0.00 H new ATOM 0 HA PHE A 1 11.733 2.213 -3.459 1.00 0.00 H new ATOM 0 HB2 PHE A 1 10.614 0.285 -1.779 1.00 0.00 H new ATOM 0 HB3 PHE A 1 10.338 1.766 -0.884 1.00 0.00 H new ATOM 0 HD1 PHE A 1 10.538 1.205 -4.592 1.00 0.00 H new ATOM 0 HD2 PHE A 1 8.075 2.336 -1.257 1.00 0.00 H new ATOM 0 HE1 PHE A 1 8.706 1.811 -6.151 1.00 0.00 H new ATOM 0 HE2 PHE A 1 6.241 2.938 -2.816 1.00 0.00 H new ATOM 0 HZ PHE A 1 6.559 2.680 -5.263 1.00 0.00 H new ATOM 23 N VAL A 2 11.536 4.255 -1.767 1.00 0.00 N ATOM 24 CA VAL A 2 11.871 5.490 -1.006 1.00 0.00 C ATOM 25 C VAL A 2 10.620 6.345 -0.829 1.00 0.00 C ATOM 26 O VAL A 2 9.512 5.907 -1.069 1.00 0.00 O ATOM 27 CB VAL A 2 12.921 6.291 -1.777 1.00 0.00 C ATOM 28 CG1 VAL A 2 14.263 5.567 -1.705 1.00 0.00 C ATOM 29 CG2 VAL A 2 12.489 6.422 -3.239 1.00 0.00 C ATOM 0 H VAL A 2 10.738 4.336 -2.397 1.00 0.00 H new ATOM 0 HA VAL A 2 12.261 5.213 -0.027 1.00 0.00 H new ATOM 0 HB VAL A 2 13.019 7.284 -1.337 1.00 0.00 H new ATOM 0 HG11 VAL A 2 15.013 6.136 -2.254 1.00 0.00 H new ATOM 0 HG12 VAL A 2 14.570 5.472 -0.663 1.00 0.00 H new ATOM 0 HG13 VAL A 2 14.165 4.575 -2.146 1.00 0.00 H new ATOM 0 HG21 VAL A 2 13.237 6.993 -3.790 1.00 0.00 H new ATOM 0 HG22 VAL A 2 12.393 5.430 -3.680 1.00 0.00 H new ATOM 0 HG23 VAL A 2 11.530 6.937 -3.290 1.00 0.00 H new ATOM 39 N ASN A 3 10.792 7.563 -0.407 1.00 0.00 N ATOM 40 CA ASN A 3 9.622 8.460 -0.210 1.00 0.00 C ATOM 41 C ASN A 3 9.035 8.840 -1.563 1.00 0.00 C ATOM 42 O ASN A 3 9.533 9.715 -2.243 1.00 0.00 O ATOM 43 CB ASN A 3 10.064 9.724 0.530 1.00 0.00 C ATOM 44 CG ASN A 3 10.939 9.342 1.724 1.00 0.00 C ATOM 45 OD1 ASN A 3 11.926 9.992 2.003 1.00 0.00 O ATOM 46 ND2 ASN A 3 10.616 8.305 2.449 1.00 0.00 N ATOM 0 H ASN A 3 11.697 7.979 -0.189 1.00 0.00 H new ATOM 0 HA ASN A 3 8.865 7.942 0.379 1.00 0.00 H new ATOM 0 HB2 ASN A 3 10.617 10.377 -0.145 1.00 0.00 H new ATOM 0 HB3 ASN A 3 9.192 10.282 0.870 1.00 0.00 H new ATOM 0 HD21 ASN A 3 11.192 8.042 3.248 1.00 0.00 H new ATOM 0 HD22 ASN A 3 9.787 7.758 2.216 1.00 0.00 H new ATOM 53 N GLN A 4 7.978 8.190 -1.960 1.00 0.00 N ATOM 54 CA GLN A 4 7.367 8.526 -3.269 1.00 0.00 C ATOM 55 C GLN A 4 5.853 8.699 -3.115 1.00 0.00 C ATOM 56 O GLN A 4 5.260 8.310 -2.118 1.00 0.00 O ATOM 57 CB GLN A 4 7.663 7.411 -4.278 1.00 0.00 C ATOM 58 CG GLN A 4 6.856 6.154 -3.932 1.00 0.00 C ATOM 59 CD GLN A 4 7.607 5.333 -2.883 1.00 0.00 C ATOM 60 OE1 GLN A 4 8.757 4.990 -3.071 1.00 0.00 O ATOM 61 NE2 GLN A 4 6.998 4.996 -1.778 1.00 0.00 N ATOM 0 H GLN A 4 7.515 7.446 -1.437 1.00 0.00 H new ATOM 0 HA GLN A 4 7.794 9.462 -3.630 1.00 0.00 H new ATOM 0 HB2 GLN A 4 7.413 7.746 -5.285 1.00 0.00 H new ATOM 0 HB3 GLN A 4 8.728 7.180 -4.274 1.00 0.00 H new ATOM 0 HG2 GLN A 4 5.873 6.434 -3.553 1.00 0.00 H new ATOM 0 HG3 GLN A 4 6.694 5.556 -4.829 1.00 0.00 H new ATOM 0 HE21 GLN A 4 6.032 5.284 -1.620 1.00 0.00 H new ATOM 0 HE22 GLN A 4 7.488 4.445 -1.073 1.00 0.00 H new ATOM 70 N HIS A 5 5.227 9.277 -4.110 1.00 0.00 N ATOM 71 CA HIS A 5 3.754 9.486 -4.064 1.00 0.00 C ATOM 72 C HIS A 5 3.070 8.258 -4.666 1.00 0.00 C ATOM 73 O HIS A 5 3.130 8.026 -5.857 1.00 0.00 O ATOM 74 CB HIS A 5 3.394 10.718 -4.899 1.00 0.00 C ATOM 75 CG HIS A 5 3.691 11.969 -4.119 1.00 0.00 C ATOM 76 ND1 HIS A 5 2.684 12.800 -3.676 1.00 0.00 N ATOM 77 CD2 HIS A 5 4.880 12.522 -3.729 1.00 0.00 C ATOM 78 CE1 HIS A 5 3.280 13.820 -3.042 1.00 0.00 C ATOM 79 NE2 HIS A 5 4.623 13.693 -3.049 1.00 0.00 N ATOM 0 H HIS A 5 5.681 9.615 -4.958 1.00 0.00 H new ATOM 0 HA HIS A 5 3.428 9.633 -3.034 1.00 0.00 H new ATOM 0 HB2 HIS A 5 3.961 10.716 -5.830 1.00 0.00 H new ATOM 0 HB3 HIS A 5 2.338 10.689 -5.169 1.00 0.00 H new ATOM 0 HD1 HIS A 5 1.681 12.665 -3.805 1.00 0.00 H new ATOM 0 HD2 HIS A 5 5.859 12.109 -3.922 1.00 0.00 H new ATOM 0 HE1 HIS A 5 2.750 14.642 -2.583 1.00 0.00 H new ATOM 87 N LEU A 6 2.437 7.460 -3.856 1.00 0.00 N ATOM 88 CA LEU A 6 1.769 6.239 -4.388 1.00 0.00 C ATOM 89 C LEU A 6 0.250 6.350 -4.257 1.00 0.00 C ATOM 90 O LEU A 6 -0.281 6.629 -3.201 1.00 0.00 O ATOM 91 CB LEU A 6 2.267 5.022 -3.611 1.00 0.00 C ATOM 92 CG LEU A 6 2.913 4.038 -4.577 1.00 0.00 C ATOM 93 CD1 LEU A 6 3.930 4.773 -5.449 1.00 0.00 C ATOM 94 CD2 LEU A 6 3.622 2.948 -3.782 1.00 0.00 C ATOM 0 H LEU A 6 2.352 7.599 -2.849 1.00 0.00 H new ATOM 0 HA LEU A 6 2.013 6.133 -5.445 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.986 5.330 -2.852 1.00 0.00 H new ATOM 0 HB3 LEU A 6 1.438 4.545 -3.089 1.00 0.00 H new ATOM 0 HG LEU A 6 2.147 3.591 -5.211 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.393 4.069 -6.141 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.426 5.558 -6.013 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.698 5.218 -4.816 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.086 2.240 -4.469 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.389 3.398 -3.151 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.899 2.425 -3.157 1.00 0.00 H new ATOM 106 N CYS A 7 -0.454 6.113 -5.327 1.00 0.00 N ATOM 107 CA CYS A 7 -1.939 6.179 -5.275 1.00 0.00 C ATOM 108 C CYS A 7 -2.484 4.766 -5.447 1.00 0.00 C ATOM 109 O CYS A 7 -1.754 3.864 -5.798 1.00 0.00 O ATOM 110 CB CYS A 7 -2.463 7.069 -6.404 1.00 0.00 C ATOM 111 SG CYS A 7 -1.743 8.724 -6.260 1.00 0.00 S ATOM 0 H CYS A 7 -0.063 5.876 -6.239 1.00 0.00 H new ATOM 0 HA CYS A 7 -2.260 6.599 -4.322 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.209 6.634 -7.371 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.550 7.130 -6.358 1.00 0.00 H new ATOM 116 N GLY A 8 -3.753 4.575 -5.193 1.00 0.00 N ATOM 117 CA GLY A 8 -4.371 3.218 -5.324 1.00 0.00 C ATOM 118 C GLY A 8 -3.653 2.394 -6.394 1.00 0.00 C ATOM 119 O GLY A 8 -3.338 1.240 -6.189 1.00 0.00 O ATOM 0 H GLY A 8 -4.396 5.309 -4.897 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -4.324 2.699 -4.367 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -5.425 3.317 -5.582 1.00 0.00 H new ATOM 123 N SER A 9 -3.389 2.972 -7.533 1.00 0.00 N ATOM 124 CA SER A 9 -2.694 2.208 -8.605 1.00 0.00 C ATOM 125 C SER A 9 -1.318 1.755 -8.119 1.00 0.00 C ATOM 126 O SER A 9 -1.087 0.582 -7.899 1.00 0.00 O ATOM 127 CB SER A 9 -2.536 3.093 -9.843 1.00 0.00 C ATOM 128 OG SER A 9 -3.785 3.186 -10.517 1.00 0.00 O ATOM 0 H SER A 9 -3.624 3.937 -7.767 1.00 0.00 H new ATOM 0 HA SER A 9 -3.287 1.329 -8.858 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.191 4.086 -9.553 1.00 0.00 H new ATOM 0 HB3 SER A 9 -1.781 2.675 -10.509 1.00 0.00 H new ATOM 0 HG SER A 9 -3.687 3.754 -11.310 1.00 0.00 H new ATOM 134 N ASP A 10 -0.397 2.662 -7.946 1.00 0.00 N ATOM 135 CA ASP A 10 0.945 2.252 -7.470 1.00 0.00 C ATOM 136 C ASP A 10 0.810 1.730 -6.044 1.00 0.00 C ATOM 137 O ASP A 10 1.696 1.085 -5.518 1.00 0.00 O ATOM 138 CB ASP A 10 1.901 3.448 -7.511 1.00 0.00 C ATOM 139 CG ASP A 10 2.384 3.665 -8.946 1.00 0.00 C ATOM 140 OD1 ASP A 10 1.582 4.093 -9.762 1.00 0.00 O ATOM 141 OD2 ASP A 10 3.547 3.403 -9.207 1.00 0.00 O ATOM 0 H ASP A 10 -0.518 3.661 -8.113 1.00 0.00 H new ATOM 0 HA ASP A 10 1.350 1.470 -8.112 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.397 4.343 -7.146 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.751 3.270 -6.853 1.00 0.00 H new ATOM 146 N LEU A 11 -0.312 1.977 -5.425 1.00 0.00 N ATOM 147 CA LEU A 11 -0.523 1.467 -4.050 1.00 0.00 C ATOM 148 C LEU A 11 -0.594 -0.046 -4.091 1.00 0.00 C ATOM 149 O LEU A 11 0.078 -0.725 -3.345 1.00 0.00 O ATOM 150 CB LEU A 11 -1.835 1.994 -3.479 1.00 0.00 C ATOM 151 CG LEU A 11 -1.570 2.696 -2.153 1.00 0.00 C ATOM 152 CD1 LEU A 11 -1.627 4.202 -2.342 1.00 0.00 C ATOM 153 CD2 LEU A 11 -2.641 2.280 -1.152 1.00 0.00 C ATOM 0 H LEU A 11 -1.089 2.510 -5.816 1.00 0.00 H new ATOM 0 HA LEU A 11 0.304 1.801 -3.423 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.297 2.686 -4.183 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.536 1.172 -3.333 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.582 2.417 -1.788 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.436 4.696 -1.389 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.871 4.507 -3.066 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.614 4.486 -2.707 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.461 2.777 -0.199 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.623 2.565 -1.530 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.607 1.200 -1.010 1.00 0.00 H new ATOM 165 N VAL A 12 -1.406 -0.584 -4.959 1.00 0.00 N ATOM 166 CA VAL A 12 -1.510 -2.061 -5.027 1.00 0.00 C ATOM 167 C VAL A 12 -0.183 -2.604 -5.501 1.00 0.00 C ATOM 168 O VAL A 12 0.217 -3.675 -5.133 1.00 0.00 O ATOM 169 CB VAL A 12 -2.606 -2.477 -6.001 1.00 0.00 C ATOM 170 CG1 VAL A 12 -3.962 -2.333 -5.325 1.00 0.00 C ATOM 171 CG2 VAL A 12 -2.548 -1.594 -7.248 1.00 0.00 C ATOM 0 H VAL A 12 -1.994 -0.069 -5.615 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.759 -2.456 -4.042 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.459 -3.516 -6.295 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.748 -2.630 -6.019 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.998 -2.971 -4.442 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.113 -1.295 -5.029 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.333 -1.894 -7.943 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.694 -0.552 -6.963 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.576 -1.706 -7.728 1.00 0.00 H new ATOM 181 N GLU A 13 0.510 -1.853 -6.295 1.00 0.00 N ATOM 182 CA GLU A 13 1.840 -2.305 -6.776 1.00 0.00 C ATOM 183 C GLU A 13 2.786 -2.315 -5.581 1.00 0.00 C ATOM 184 O GLU A 13 3.356 -3.328 -5.228 1.00 0.00 O ATOM 185 CB GLU A 13 2.349 -1.316 -7.815 1.00 0.00 C ATOM 186 CG GLU A 13 1.787 -1.682 -9.186 1.00 0.00 C ATOM 187 CD GLU A 13 2.931 -2.076 -10.122 1.00 0.00 C ATOM 188 OE1 GLU A 13 3.865 -2.704 -9.651 1.00 0.00 O ATOM 189 OE2 GLU A 13 2.854 -1.744 -11.292 1.00 0.00 O ATOM 0 H GLU A 13 0.214 -0.939 -6.636 1.00 0.00 H new ATOM 0 HA GLU A 13 1.778 -3.298 -7.222 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.049 -0.303 -7.546 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.439 -1.329 -7.842 1.00 0.00 H new ATOM 0 HG2 GLU A 13 1.080 -2.507 -9.092 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.238 -0.837 -9.602 1.00 0.00 H new ATOM 196 N ALA A 14 2.931 -1.189 -4.938 1.00 0.00 N ATOM 197 CA ALA A 14 3.813 -1.124 -3.741 1.00 0.00 C ATOM 198 C ALA A 14 3.347 -2.187 -2.763 1.00 0.00 C ATOM 199 O ALA A 14 4.117 -2.986 -2.269 1.00 0.00 O ATOM 200 CB ALA A 14 3.692 0.250 -3.085 1.00 0.00 C ATOM 0 H ALA A 14 2.476 -0.312 -5.191 1.00 0.00 H new ATOM 0 HA ALA A 14 4.852 -1.289 -4.027 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.339 0.293 -2.209 1.00 0.00 H new ATOM 0 HB2 ALA A 14 3.991 1.020 -3.796 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.659 0.418 -2.781 1.00 0.00 H new ATOM 206 N LEU A 15 2.076 -2.206 -2.505 1.00 0.00 N ATOM 207 CA LEU A 15 1.512 -3.218 -1.583 1.00 0.00 C ATOM 208 C LEU A 15 1.742 -4.594 -2.187 1.00 0.00 C ATOM 209 O LEU A 15 2.135 -5.529 -1.524 1.00 0.00 O ATOM 210 CB LEU A 15 0.023 -2.962 -1.441 1.00 0.00 C ATOM 211 CG LEU A 15 -0.222 -2.148 -0.176 1.00 0.00 C ATOM 212 CD1 LEU A 15 -1.514 -1.366 -0.314 1.00 0.00 C ATOM 213 CD2 LEU A 15 -0.339 -3.093 1.013 1.00 0.00 C ATOM 0 H LEU A 15 1.396 -1.556 -2.899 1.00 0.00 H new ATOM 0 HA LEU A 15 1.987 -3.162 -0.603 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.352 -2.425 -2.313 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.518 -3.907 -1.392 1.00 0.00 H new ATOM 0 HG LEU A 15 0.608 -1.458 -0.024 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.686 -0.785 0.592 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.442 -0.693 -1.168 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.343 -2.057 -0.465 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.514 -2.516 1.921 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.171 -3.778 0.852 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.585 -3.662 1.118 1.00 0.00 H new ATOM 225 N TYR A 16 1.520 -4.697 -3.459 1.00 0.00 N ATOM 226 CA TYR A 16 1.736 -5.983 -4.172 1.00 0.00 C ATOM 227 C TYR A 16 3.181 -6.405 -3.938 1.00 0.00 C ATOM 228 O TYR A 16 3.546 -7.559 -4.056 1.00 0.00 O ATOM 229 CB TYR A 16 1.482 -5.734 -5.662 1.00 0.00 C ATOM 230 CG TYR A 16 2.197 -6.742 -6.511 1.00 0.00 C ATOM 231 CD1 TYR A 16 1.702 -8.042 -6.620 1.00 0.00 C ATOM 232 CD2 TYR A 16 3.352 -6.363 -7.196 1.00 0.00 C ATOM 233 CE1 TYR A 16 2.369 -8.975 -7.424 1.00 0.00 C ATOM 234 CE2 TYR A 16 4.023 -7.291 -7.999 1.00 0.00 C ATOM 235 CZ TYR A 16 3.533 -8.601 -8.115 1.00 0.00 C ATOM 236 OH TYR A 16 4.192 -9.519 -8.906 1.00 0.00 O ATOM 0 H TYR A 16 1.192 -3.932 -4.049 1.00 0.00 H new ATOM 0 HA TYR A 16 1.069 -6.769 -3.817 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.412 -5.779 -5.863 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.814 -4.730 -5.927 1.00 0.00 H new ATOM 0 HD1 TYR A 16 0.808 -8.328 -6.086 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.727 -5.354 -7.106 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.988 -9.982 -7.513 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.918 -7.000 -8.529 1.00 0.00 H new ATOM 0 HH TYR A 16 4.977 -9.096 -9.313 1.00 0.00 H new ATOM 246 N LEU A 17 3.999 -5.454 -3.602 1.00 0.00 N ATOM 247 CA LEU A 17 5.428 -5.724 -3.343 1.00 0.00 C ATOM 248 C LEU A 17 5.619 -6.041 -1.864 1.00 0.00 C ATOM 249 O LEU A 17 5.972 -7.138 -1.481 1.00 0.00 O ATOM 250 CB LEU A 17 6.201 -4.456 -3.690 1.00 0.00 C ATOM 251 CG LEU A 17 7.106 -4.687 -4.900 1.00 0.00 C ATOM 252 CD1 LEU A 17 6.400 -5.569 -5.935 1.00 0.00 C ATOM 253 CD2 LEU A 17 7.436 -3.337 -5.535 1.00 0.00 C ATOM 0 H LEU A 17 3.726 -4.477 -3.494 1.00 0.00 H new ATOM 0 HA LEU A 17 5.779 -6.568 -3.937 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.503 -3.646 -3.901 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.801 -4.145 -2.835 1.00 0.00 H new ATOM 0 HG LEU A 17 8.018 -5.187 -4.574 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.058 -5.724 -6.790 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.155 -6.532 -5.486 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.484 -5.080 -6.266 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.082 -3.490 -6.400 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.514 -2.849 -5.852 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.948 -2.708 -4.807 1.00 0.00 H new ATOM 265 N VAL A 18 5.387 -5.068 -1.039 1.00 0.00 N ATOM 266 CA VAL A 18 5.547 -5.266 0.434 1.00 0.00 C ATOM 267 C VAL A 18 4.850 -6.551 0.850 1.00 0.00 C ATOM 268 O VAL A 18 5.223 -7.193 1.812 1.00 0.00 O ATOM 269 CB VAL A 18 4.927 -4.104 1.224 1.00 0.00 C ATOM 270 CG1 VAL A 18 6.036 -3.264 1.840 1.00 0.00 C ATOM 271 CG2 VAL A 18 4.080 -3.220 0.315 1.00 0.00 C ATOM 0 H VAL A 18 5.090 -4.133 -1.317 1.00 0.00 H new ATOM 0 HA VAL A 18 6.614 -5.314 0.651 1.00 0.00 H new ATOM 0 HB VAL A 18 4.289 -4.519 2.004 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.598 -2.439 2.401 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.632 -3.883 2.511 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.674 -2.868 1.050 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.652 -2.404 0.897 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.705 -2.810 -0.479 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.278 -3.813 -0.124 1.00 0.00 H new ATOM 281 N CYS A 19 3.834 -6.927 0.138 1.00 0.00 N ATOM 282 CA CYS A 19 3.103 -8.169 0.503 1.00 0.00 C ATOM 283 C CYS A 19 3.721 -9.358 -0.218 1.00 0.00 C ATOM 284 O CYS A 19 4.352 -10.210 0.377 1.00 0.00 O ATOM 285 CB CYS A 19 1.631 -8.047 0.103 1.00 0.00 C ATOM 286 SG CYS A 19 0.603 -8.122 1.584 1.00 0.00 S ATOM 0 H CYS A 19 3.476 -6.432 -0.679 1.00 0.00 H new ATOM 0 HA CYS A 19 3.173 -8.316 1.581 1.00 0.00 H new ATOM 0 HB2 CYS A 19 1.462 -7.108 -0.424 1.00 0.00 H new ATOM 0 HB3 CYS A 19 1.361 -8.850 -0.582 1.00 0.00 H new ATOM 291 N GLY A 20 3.536 -9.421 -1.500 1.00 0.00 N ATOM 292 CA GLY A 20 4.099 -10.553 -2.285 1.00 0.00 C ATOM 293 C GLY A 20 3.269 -11.812 -2.029 1.00 0.00 C ATOM 294 O GLY A 20 2.576 -12.298 -2.901 1.00 0.00 O ATOM 0 H GLY A 20 3.016 -8.734 -2.045 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.094 -10.311 -3.348 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.137 -10.725 -2.002 1.00 0.00 H new ATOM 298 N GLU A 21 3.334 -12.348 -0.841 1.00 0.00 N ATOM 299 CA GLU A 21 2.549 -13.579 -0.532 1.00 0.00 C ATOM 300 C GLU A 21 1.765 -13.391 0.771 1.00 0.00 C ATOM 301 O GLU A 21 0.966 -14.224 1.148 1.00 0.00 O ATOM 302 CB GLU A 21 3.504 -14.764 -0.377 1.00 0.00 C ATOM 303 CG GLU A 21 4.234 -15.010 -1.701 1.00 0.00 C ATOM 304 CD GLU A 21 3.359 -15.873 -2.614 1.00 0.00 C ATOM 305 OE1 GLU A 21 2.150 -15.724 -2.555 1.00 0.00 O ATOM 306 OE2 GLU A 21 3.915 -16.666 -3.355 1.00 0.00 O ATOM 0 H GLU A 21 3.896 -11.987 -0.070 1.00 0.00 H new ATOM 0 HA GLU A 21 1.850 -13.768 -1.347 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.225 -14.562 0.416 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.949 -15.656 -0.084 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.459 -14.060 -2.187 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.186 -15.507 -1.517 1.00 0.00 H new ATOM 313 N ARG A 22 1.987 -12.308 1.466 1.00 0.00 N ATOM 314 CA ARG A 22 1.254 -12.082 2.745 1.00 0.00 C ATOM 315 C ARG A 22 -0.239 -11.894 2.462 1.00 0.00 C ATOM 316 O ARG A 22 -1.055 -11.904 3.363 1.00 0.00 O ATOM 317 CB ARG A 22 1.800 -10.832 3.435 1.00 0.00 C ATOM 318 CG ARG A 22 3.144 -11.157 4.090 1.00 0.00 C ATOM 319 CD ARG A 22 3.433 -10.141 5.197 1.00 0.00 C ATOM 320 NE ARG A 22 4.833 -9.648 5.062 1.00 0.00 N ATOM 321 CZ ARG A 22 5.521 -9.339 6.126 1.00 0.00 C ATOM 322 NH1 ARG A 22 5.475 -8.125 6.604 1.00 0.00 N ATOM 323 NH2 ARG A 22 6.256 -10.245 6.714 1.00 0.00 N ATOM 0 H ARG A 22 2.643 -11.572 1.204 1.00 0.00 H new ATOM 0 HA ARG A 22 1.393 -12.947 3.393 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.922 -10.027 2.710 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.093 -10.480 4.186 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.124 -12.165 4.504 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.939 -11.134 3.344 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.734 -9.307 5.132 1.00 0.00 H new ATOM 0 HD3 ARG A 22 3.290 -10.601 6.175 1.00 0.00 H new ATOM 0 HE ARG A 22 5.253 -9.552 4.137 1.00 0.00 H new ATOM 0 HH11 ARG A 22 4.901 -7.418 6.145 1.00 0.00 H new ATOM 0 HH12 ARG A 22 6.013 -7.884 7.436 1.00 0.00 H new ATOM 0 HH21 ARG A 22 6.292 -11.194 6.341 1.00 0.00 H new ATOM 0 HH22 ARG A 22 6.794 -10.004 7.546 1.00 0.00 H new ATOM 337 N GLY A 23 -0.604 -11.719 1.224 1.00 0.00 N ATOM 338 CA GLY A 23 -2.045 -11.526 0.896 1.00 0.00 C ATOM 339 C GLY A 23 -2.512 -10.182 1.452 1.00 0.00 C ATOM 340 O GLY A 23 -2.876 -10.067 2.605 1.00 0.00 O ATOM 0 H GLY A 23 0.031 -11.701 0.426 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.192 -11.557 -0.184 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.639 -12.335 1.322 1.00 0.00 H new ATOM 344 N PHE A 24 -2.497 -9.159 0.643 1.00 0.00 N ATOM 345 CA PHE A 24 -2.933 -7.819 1.127 1.00 0.00 C ATOM 346 C PHE A 24 -4.415 -7.599 0.813 1.00 0.00 C ATOM 347 O PHE A 24 -5.050 -8.381 0.133 1.00 0.00 O ATOM 348 CB PHE A 24 -2.113 -6.728 0.429 1.00 0.00 C ATOM 349 CG PHE A 24 -2.877 -6.223 -0.777 1.00 0.00 C ATOM 350 CD1 PHE A 24 -3.167 -7.090 -1.839 1.00 0.00 C ATOM 351 CD2 PHE A 24 -3.331 -4.901 -0.807 1.00 0.00 C ATOM 352 CE1 PHE A 24 -3.909 -6.630 -2.933 1.00 0.00 C ATOM 353 CE2 PHE A 24 -4.068 -4.437 -1.901 1.00 0.00 C ATOM 354 CZ PHE A 24 -4.358 -5.302 -2.965 1.00 0.00 C ATOM 0 H PHE A 24 -2.202 -9.193 -0.333 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.779 -7.771 2.205 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.916 -5.907 1.119 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.146 -7.125 0.121 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -2.818 -8.112 -1.813 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.112 -4.237 0.016 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -4.135 -7.297 -3.752 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.413 -3.414 -1.926 1.00 0.00 H new ATOM 0 HZ PHE A 24 -4.928 -4.945 -3.810 1.00 0.00 H new ATOM 364 N PHE A 25 -4.940 -6.507 1.278 1.00 0.00 N ATOM 365 CA PHE A 25 -6.355 -6.167 0.998 1.00 0.00 C ATOM 366 C PHE A 25 -6.568 -4.699 1.343 1.00 0.00 C ATOM 367 O PHE A 25 -5.924 -4.169 2.226 1.00 0.00 O ATOM 368 CB PHE A 25 -7.263 -7.009 1.874 1.00 0.00 C ATOM 369 CG PHE A 25 -6.988 -6.642 3.306 1.00 0.00 C ATOM 370 CD1 PHE A 25 -5.844 -7.139 3.935 1.00 0.00 C ATOM 371 CD2 PHE A 25 -7.854 -5.785 3.995 1.00 0.00 C ATOM 372 CE1 PHE A 25 -5.561 -6.789 5.258 1.00 0.00 C ATOM 373 CE2 PHE A 25 -7.574 -5.431 5.322 1.00 0.00 C ATOM 374 CZ PHE A 25 -6.427 -5.934 5.955 1.00 0.00 C ATOM 0 H PHE A 25 -4.441 -5.825 1.849 1.00 0.00 H new ATOM 0 HA PHE A 25 -6.584 -6.356 -0.051 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -8.309 -6.827 1.627 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -7.077 -8.070 1.709 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -5.176 -7.796 3.397 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -8.735 -5.398 3.506 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -4.677 -7.176 5.743 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -8.241 -4.771 5.857 1.00 0.00 H new ATOM 0 HZ PHE A 25 -6.211 -5.663 6.978 1.00 0.00 H new ATOM 384 N TYR A 26 -7.485 -4.043 0.707 1.00 0.00 N ATOM 385 CA TYR A 26 -7.733 -2.632 1.080 1.00 0.00 C ATOM 386 C TYR A 26 -8.410 -2.656 2.467 1.00 0.00 C ATOM 387 O TYR A 26 -7.820 -3.102 3.430 1.00 0.00 O ATOM 388 CB TYR A 26 -8.630 -1.982 0.021 1.00 0.00 C ATOM 389 CG TYR A 26 -7.832 -1.004 -0.818 1.00 0.00 C ATOM 390 CD1 TYR A 26 -7.062 -0.006 -0.203 1.00 0.00 C ATOM 391 CD2 TYR A 26 -7.887 -1.081 -2.217 1.00 0.00 C ATOM 392 CE1 TYR A 26 -6.346 0.911 -0.991 1.00 0.00 C ATOM 393 CE2 TYR A 26 -7.175 -0.163 -3.001 1.00 0.00 C ATOM 394 CZ TYR A 26 -6.404 0.831 -2.387 1.00 0.00 C ATOM 395 OH TYR A 26 -5.706 1.736 -3.158 1.00 0.00 O ATOM 0 H TYR A 26 -8.067 -4.414 -0.044 1.00 0.00 H new ATOM 0 HA TYR A 26 -6.814 -2.048 1.128 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -9.064 -2.750 -0.619 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -9.459 -1.465 0.505 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -7.019 0.058 0.874 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -8.479 -1.849 -2.691 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -5.750 1.678 -0.519 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -7.221 -0.222 -4.078 1.00 0.00 H new ATOM 0 HH TYR A 26 -6.331 2.233 -3.726 1.00 0.00 H new ATOM 405 N THR A 27 -9.636 -2.220 2.587 1.00 0.00 N ATOM 406 CA THR A 27 -10.319 -2.265 3.912 1.00 0.00 C ATOM 407 C THR A 27 -11.815 -2.083 3.694 1.00 0.00 C ATOM 408 O THR A 27 -12.584 -3.024 3.682 1.00 0.00 O ATOM 409 CB THR A 27 -9.797 -1.157 4.836 1.00 0.00 C ATOM 410 OG1 THR A 27 -10.888 -0.562 5.528 1.00 0.00 O ATOM 411 CG2 THR A 27 -9.066 -0.085 4.031 1.00 0.00 C ATOM 0 H THR A 27 -10.193 -1.835 1.825 1.00 0.00 H new ATOM 0 HA THR A 27 -10.116 -3.226 4.385 1.00 0.00 H new ATOM 0 HB THR A 27 -9.100 -1.598 5.549 1.00 0.00 H new ATOM 0 HG1 THR A 27 -10.554 0.145 6.119 1.00 0.00 H new ATOM 0 HG21 THR A 27 -8.704 0.692 4.704 1.00 0.00 H new ATOM 0 HG22 THR A 27 -8.222 -0.535 3.508 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.750 0.354 3.305 1.00 0.00 H new ATOM 419 N ASP A 28 -12.217 -0.863 3.519 1.00 0.00 N ATOM 420 CA ASP A 28 -13.656 -0.556 3.291 1.00 0.00 C ATOM 421 C ASP A 28 -13.869 -0.189 1.819 1.00 0.00 C ATOM 422 O ASP A 28 -13.614 0.931 1.424 1.00 0.00 O ATOM 423 CB ASP A 28 -14.054 0.633 4.169 1.00 0.00 C ATOM 424 CG ASP A 28 -15.569 0.624 4.388 1.00 0.00 C ATOM 425 OD1 ASP A 28 -16.287 0.813 3.420 1.00 0.00 O ATOM 426 OD2 ASP A 28 -15.983 0.430 5.518 1.00 0.00 O ATOM 0 H ASP A 28 -11.602 -0.049 3.524 1.00 0.00 H new ATOM 0 HA ASP A 28 -14.264 -1.425 3.542 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -13.537 0.580 5.127 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -13.750 1.566 3.695 1.00 0.00 H new ATOM 431 N PRO A 29 -14.329 -1.143 1.049 1.00 0.00 N ATOM 432 CA PRO A 29 -14.580 -0.949 -0.391 1.00 0.00 C ATOM 433 C PRO A 29 -15.866 -0.146 -0.609 1.00 0.00 C ATOM 434 O PRO A 29 -16.931 -0.699 -0.794 1.00 0.00 O ATOM 435 CB PRO A 29 -14.723 -2.374 -0.930 1.00 0.00 C ATOM 436 CG PRO A 29 -15.104 -3.260 0.280 1.00 0.00 C ATOM 437 CD PRO A 29 -14.647 -2.500 1.540 1.00 0.00 C ATOM 0 HA PRO A 29 -13.789 -0.390 -0.891 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -15.489 -2.422 -1.704 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -13.791 -2.714 -1.383 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -16.179 -3.441 0.305 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -14.618 -4.233 0.216 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -15.431 -2.476 2.297 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -13.777 -2.972 1.997 1.00 0.00 H new ATOM 445 N THR A 30 -15.772 1.155 -0.588 1.00 0.00 N ATOM 446 CA THR A 30 -16.985 1.993 -0.794 1.00 0.00 C ATOM 447 C THR A 30 -16.653 3.165 -1.717 1.00 0.00 C ATOM 448 O THR A 30 -16.977 3.160 -2.888 1.00 0.00 O ATOM 449 CB THR A 30 -17.468 2.529 0.556 1.00 0.00 C ATOM 450 OG1 THR A 30 -16.365 3.068 1.271 1.00 0.00 O ATOM 451 CG2 THR A 30 -18.095 1.391 1.364 1.00 0.00 C ATOM 0 H THR A 30 -14.907 1.674 -0.437 1.00 0.00 H new ATOM 0 HA THR A 30 -17.768 1.387 -1.249 1.00 0.00 H new ATOM 0 HB THR A 30 -18.212 3.309 0.393 1.00 0.00 H new ATOM 0 HG1 THR A 30 -16.155 2.489 2.033 1.00 0.00 H new ATOM 0 HG21 THR A 30 -18.439 1.774 2.325 1.00 0.00 H new ATOM 0 HG22 THR A 30 -18.941 0.978 0.815 1.00 0.00 H new ATOM 0 HG23 THR A 30 -17.353 0.610 1.529 1.00 0.00 H new ATOM 459 N GLY A 31 -16.012 4.166 -1.194 1.00 0.00 N ATOM 460 CA GLY A 31 -15.657 5.349 -2.030 1.00 0.00 C ATOM 461 C GLY A 31 -14.368 5.070 -2.807 1.00 0.00 C ATOM 462 O GLY A 31 -13.818 3.988 -2.750 1.00 0.00 O ATOM 0 H GLY A 31 -15.715 4.220 -0.220 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -16.468 5.572 -2.723 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -15.528 6.227 -1.397 1.00 0.00 H new ATOM 466 N GLY A 32 -13.884 6.040 -3.534 1.00 0.00 N ATOM 467 CA GLY A 32 -12.631 5.836 -4.319 1.00 0.00 C ATOM 468 C GLY A 32 -11.474 5.535 -3.365 1.00 0.00 C ATOM 469 O GLY A 32 -10.601 4.744 -3.663 1.00 0.00 O ATOM 0 H GLY A 32 -14.302 6.967 -3.619 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -12.760 5.013 -5.022 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -12.409 6.726 -4.907 1.00 0.00 H new ATOM 473 N GLY A 33 -11.459 6.158 -2.220 1.00 0.00 N ATOM 474 CA GLY A 33 -10.360 5.905 -1.244 1.00 0.00 C ATOM 475 C GLY A 33 -10.920 5.114 -0.059 1.00 0.00 C ATOM 476 O GLY A 33 -11.284 5.689 0.950 1.00 0.00 O ATOM 0 H GLY A 33 -12.161 6.833 -1.916 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -9.553 5.348 -1.721 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.936 6.849 -0.901 1.00 0.00 H new ATOM 480 N PRO A 34 -10.957 3.813 -0.214 1.00 0.00 N ATOM 481 CA PRO A 34 -11.478 2.907 0.827 1.00 0.00 C ATOM 482 C PRO A 34 -10.593 2.988 2.060 1.00 0.00 C ATOM 483 O PRO A 34 -10.993 2.668 3.161 1.00 0.00 O ATOM 484 CB PRO A 34 -11.436 1.529 0.161 1.00 0.00 C ATOM 485 CG PRO A 34 -10.429 1.644 -1.004 1.00 0.00 C ATOM 486 CD PRO A 34 -10.435 3.127 -1.411 1.00 0.00 C ATOM 0 HA PRO A 34 -12.483 3.150 1.171 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -11.124 0.763 0.871 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -12.422 1.243 -0.204 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -9.433 1.327 -0.694 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -10.721 1.007 -1.839 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -9.435 3.476 -1.669 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -11.068 3.301 -2.281 1.00 0.00 H new ATOM 494 N ARG A 35 -9.407 3.465 1.873 1.00 0.00 N ATOM 495 CA ARG A 35 -8.478 3.640 3.008 1.00 0.00 C ATOM 496 C ARG A 35 -7.603 4.830 2.702 1.00 0.00 C ATOM 497 O ARG A 35 -6.395 4.733 2.627 1.00 0.00 O ATOM 498 CB ARG A 35 -7.617 2.408 3.209 1.00 0.00 C ATOM 499 CG ARG A 35 -7.440 2.178 4.709 1.00 0.00 C ATOM 500 CD ARG A 35 -6.479 3.219 5.286 1.00 0.00 C ATOM 501 NE ARG A 35 -7.215 4.097 6.238 1.00 0.00 N ATOM 502 CZ ARG A 35 -7.992 3.569 7.143 1.00 0.00 C ATOM 503 NH1 ARG A 35 -7.522 2.669 7.963 1.00 0.00 N ATOM 504 NH2 ARG A 35 -9.240 3.941 7.229 1.00 0.00 N ATOM 0 H ARG A 35 -9.034 3.746 0.966 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.046 3.795 3.925 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.085 1.539 2.746 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -6.647 2.542 2.729 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -8.405 2.243 5.212 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -7.054 1.175 4.889 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -5.652 2.724 5.795 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -6.047 3.816 4.483 1.00 0.00 H new ATOM 0 HE ARG A 35 -7.111 5.110 6.182 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -6.547 2.378 7.896 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -8.130 2.257 8.670 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -9.608 4.645 6.589 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -9.848 3.528 7.937 1.00 0.00 H new ATOM 518 N ARG A 36 -8.218 5.958 2.511 1.00 0.00 N ATOM 519 CA ARG A 36 -7.430 7.172 2.195 1.00 0.00 C ATOM 520 C ARG A 36 -6.190 7.232 3.082 1.00 0.00 C ATOM 521 O ARG A 36 -5.200 7.825 2.711 1.00 0.00 O ATOM 522 CB ARG A 36 -8.273 8.427 2.388 1.00 0.00 C ATOM 523 CG ARG A 36 -9.337 8.182 3.460 1.00 0.00 C ATOM 524 CD ARG A 36 -9.603 9.482 4.222 1.00 0.00 C ATOM 525 NE ARG A 36 -10.197 10.488 3.296 1.00 0.00 N ATOM 526 CZ ARG A 36 -10.405 11.710 3.707 1.00 0.00 C ATOM 527 NH1 ARG A 36 -9.555 12.280 4.515 1.00 0.00 N ATOM 528 NH2 ARG A 36 -11.464 12.361 3.309 1.00 0.00 N ATOM 0 H ARG A 36 -9.228 6.091 2.560 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.121 7.123 1.151 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.636 9.262 2.680 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -8.749 8.703 1.447 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.257 7.824 2.999 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.003 7.406 4.149 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -10.280 9.295 5.056 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -8.674 9.865 4.645 1.00 0.00 H new ATOM 0 HE ARG A 36 -10.441 10.222 2.342 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.727 11.771 4.826 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.718 13.234 4.836 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -12.129 11.915 2.677 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -11.627 13.315 3.630 1.00 0.00 H new ATOM 542 N GLY A 37 -6.196 6.597 4.223 1.00 0.00 N ATOM 543 CA GLY A 37 -4.965 6.610 5.064 1.00 0.00 C ATOM 544 C GLY A 37 -3.802 6.323 4.121 1.00 0.00 C ATOM 545 O GLY A 37 -2.765 6.955 4.165 1.00 0.00 O ATOM 0 H GLY A 37 -6.987 6.078 4.605 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.839 7.575 5.555 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.023 5.858 5.851 1.00 0.00 H new ATOM 549 N ILE A 38 -4.018 5.407 3.215 1.00 0.00 N ATOM 550 CA ILE A 38 -2.987 5.103 2.194 1.00 0.00 C ATOM 551 C ILE A 38 -3.296 5.931 0.950 1.00 0.00 C ATOM 552 O ILE A 38 -2.550 6.797 0.542 1.00 0.00 O ATOM 553 CB ILE A 38 -2.994 3.626 1.779 1.00 0.00 C ATOM 554 CG1 ILE A 38 -3.775 2.729 2.749 1.00 0.00 C ATOM 555 CG2 ILE A 38 -1.560 3.148 1.712 1.00 0.00 C ATOM 556 CD1 ILE A 38 -4.648 1.777 1.927 1.00 0.00 C ATOM 0 H ILE A 38 -4.873 4.855 3.142 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.012 5.335 2.623 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.493 3.556 0.813 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.089 2.165 3.381 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.393 3.334 3.412 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.540 2.099 1.418 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.013 3.741 0.979 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.093 3.260 2.691 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -5.212 1.130 2.598 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -5.339 2.355 1.314 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -4.015 1.167 1.283 1.00 0.00 H new ATOM 568 N VAL A 39 -4.408 5.624 0.346 1.00 0.00 N ATOM 569 CA VAL A 39 -4.847 6.319 -0.894 1.00 0.00 C ATOM 570 C VAL A 39 -4.714 7.835 -0.757 1.00 0.00 C ATOM 571 O VAL A 39 -4.420 8.528 -1.709 1.00 0.00 O ATOM 572 CB VAL A 39 -6.310 5.950 -1.171 1.00 0.00 C ATOM 573 CG1 VAL A 39 -6.919 6.965 -2.142 1.00 0.00 C ATOM 574 CG2 VAL A 39 -6.370 4.555 -1.795 1.00 0.00 C ATOM 0 H VAL A 39 -5.049 4.899 0.670 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.211 6.002 -1.721 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.871 5.959 -0.236 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.958 6.702 -2.338 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.873 7.961 -1.703 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.359 6.955 -3.077 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.408 4.289 -1.993 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.809 4.550 -2.730 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.935 3.830 -1.107 1.00 0.00 H new ATOM 584 N GLU A 40 -4.942 8.356 0.403 1.00 0.00 N ATOM 585 CA GLU A 40 -4.840 9.828 0.578 1.00 0.00 C ATOM 586 C GLU A 40 -3.428 10.193 1.011 1.00 0.00 C ATOM 587 O GLU A 40 -3.000 11.321 0.885 1.00 0.00 O ATOM 588 CB GLU A 40 -5.844 10.311 1.625 1.00 0.00 C ATOM 589 CG GLU A 40 -5.652 11.809 1.850 1.00 0.00 C ATOM 590 CD GLU A 40 -6.988 12.445 2.235 1.00 0.00 C ATOM 591 OE1 GLU A 40 -7.985 12.093 1.626 1.00 0.00 O ATOM 592 OE2 GLU A 40 -6.992 13.274 3.131 1.00 0.00 O ATOM 0 H GLU A 40 -5.195 7.832 1.241 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.066 10.313 -0.372 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.862 10.109 1.291 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.702 9.769 2.560 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.917 11.978 2.637 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.263 12.276 0.945 1.00 0.00 H new ATOM 599 N GLN A 41 -2.702 9.245 1.521 1.00 0.00 N ATOM 600 CA GLN A 41 -1.318 9.537 1.967 1.00 0.00 C ATOM 601 C GLN A 41 -0.352 9.298 0.806 1.00 0.00 C ATOM 602 O GLN A 41 0.040 10.215 0.115 1.00 0.00 O ATOM 603 CB GLN A 41 -0.969 8.629 3.148 1.00 0.00 C ATOM 604 CG GLN A 41 0.451 8.935 3.626 1.00 0.00 C ATOM 605 CD GLN A 41 0.558 8.656 5.125 1.00 0.00 C ATOM 606 OE1 GLN A 41 0.178 7.598 5.587 1.00 0.00 O ATOM 607 NE2 GLN A 41 1.064 9.566 5.910 1.00 0.00 N ATOM 0 H GLN A 41 -3.007 8.280 1.648 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.237 10.577 2.283 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.679 8.783 3.961 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.047 7.583 2.851 1.00 0.00 H new ATOM 0 HG2 GLN A 41 1.169 8.324 3.080 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.698 9.977 3.421 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.383 10.454 5.522 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.141 9.390 6.912 1.00 0.00 H new ATOM 616 N CYS A 42 0.022 8.073 0.585 1.00 0.00 N ATOM 617 CA CYS A 42 0.950 7.755 -0.536 1.00 0.00 C ATOM 618 C CYS A 42 0.561 8.586 -1.759 1.00 0.00 C ATOM 619 O CYS A 42 1.401 9.112 -2.459 1.00 0.00 O ATOM 620 CB CYS A 42 0.826 6.269 -0.884 1.00 0.00 C ATOM 621 SG CYS A 42 1.770 5.257 0.286 1.00 0.00 S ATOM 0 H CYS A 42 -0.277 7.269 1.137 1.00 0.00 H new ATOM 0 HA CYS A 42 1.975 7.983 -0.242 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.223 5.972 -0.866 1.00 0.00 H new ATOM 0 HB3 CYS A 42 1.189 6.096 -1.897 1.00 0.00 H new ATOM 626 N CYS A 43 -0.712 8.707 -2.023 1.00 0.00 N ATOM 627 CA CYS A 43 -1.152 9.496 -3.206 1.00 0.00 C ATOM 628 C CYS A 43 -0.869 10.983 -2.979 1.00 0.00 C ATOM 629 O CYS A 43 -0.225 11.627 -3.783 1.00 0.00 O ATOM 630 CB CYS A 43 -2.650 9.288 -3.432 1.00 0.00 C ATOM 631 SG CYS A 43 -3.071 9.745 -5.132 1.00 0.00 S ATOM 0 H CYS A 43 -1.464 8.294 -1.471 1.00 0.00 H new ATOM 0 HA CYS A 43 -0.601 9.159 -4.084 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -2.916 8.247 -3.247 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -3.222 9.893 -2.729 1.00 0.00 H new ATOM 636 N HIS A 44 -1.340 11.534 -1.896 1.00 0.00 N ATOM 637 CA HIS A 44 -1.085 12.977 -1.634 1.00 0.00 C ATOM 638 C HIS A 44 0.286 13.127 -0.980 1.00 0.00 C ATOM 639 O HIS A 44 1.195 13.698 -1.543 1.00 0.00 O ATOM 640 CB HIS A 44 -2.169 13.527 -0.708 1.00 0.00 C ATOM 641 CG HIS A 44 -3.519 13.211 -1.287 1.00 0.00 C ATOM 642 ND1 HIS A 44 -4.131 12.014 -1.552 1.00 0.00 N flip ATOM 643 CD2 HIS A 44 -4.387 14.212 -1.674 1.00 0.00 C flip ATOM 644 CE1 HIS A 44 -5.370 12.265 -2.103 1.00 0.00 C flip ATOM 645 NE2 HIS A 44 -5.480 13.607 -2.156 1.00 0.00 N flip ATOM 0 H HIS A 44 -1.888 11.051 -1.184 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.104 13.535 -2.570 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -2.074 13.087 0.285 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -2.053 14.605 -0.592 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -4.218 15.276 -1.602 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -6.100 11.537 -2.425 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -6.295 14.101 -2.519 1.00 0.00 H new ATOM 653 N SER A 45 0.446 12.596 0.199 1.00 0.00 N ATOM 654 CA SER A 45 1.763 12.684 0.883 1.00 0.00 C ATOM 655 C SER A 45 2.670 11.575 0.336 1.00 0.00 C ATOM 656 O SER A 45 2.763 11.381 -0.861 1.00 0.00 O ATOM 657 CB SER A 45 1.557 12.506 2.389 1.00 0.00 C ATOM 658 OG SER A 45 2.659 13.074 3.084 1.00 0.00 O ATOM 0 H SER A 45 -0.281 12.104 0.719 1.00 0.00 H new ATOM 0 HA SER A 45 2.226 13.654 0.702 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.629 12.986 2.700 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.465 11.448 2.633 1.00 0.00 H new ATOM 0 HG SER A 45 2.529 12.963 4.049 1.00 0.00 H new ATOM 664 N ILE A 46 3.334 10.839 1.187 1.00 0.00 N ATOM 665 CA ILE A 46 4.215 9.745 0.687 1.00 0.00 C ATOM 666 C ILE A 46 4.343 8.676 1.766 1.00 0.00 C ATOM 667 O ILE A 46 4.000 8.888 2.913 1.00 0.00 O ATOM 668 CB ILE A 46 5.612 10.312 0.359 1.00 0.00 C ATOM 669 CG1 ILE A 46 5.617 10.991 -1.017 1.00 0.00 C ATOM 670 CG2 ILE A 46 6.653 9.189 0.362 1.00 0.00 C ATOM 671 CD1 ILE A 46 5.481 12.498 -0.830 1.00 0.00 C ATOM 0 H ILE A 46 3.305 10.947 2.201 1.00 0.00 H new ATOM 0 HA ILE A 46 3.783 9.311 -0.214 1.00 0.00 H new ATOM 0 HB ILE A 46 5.861 11.049 1.123 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.541 10.760 -1.547 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.796 10.612 -1.626 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.634 9.602 0.129 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.680 8.721 1.346 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.386 8.444 -0.387 1.00 0.00 H new ATOM 0 HD11 ILE A 46 5.484 12.987 -1.804 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.545 12.718 -0.316 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.317 12.868 -0.236 1.00 0.00 H new ATOM 683 N CYS A 47 4.840 7.526 1.406 1.00 0.00 N ATOM 684 CA CYS A 47 4.994 6.442 2.421 1.00 0.00 C ATOM 685 C CYS A 47 6.100 5.483 1.983 1.00 0.00 C ATOM 686 O CYS A 47 6.602 5.557 0.879 1.00 0.00 O ATOM 687 CB CYS A 47 3.682 5.653 2.585 1.00 0.00 C ATOM 688 SG CYS A 47 2.301 6.508 1.778 1.00 0.00 S ATOM 0 H CYS A 47 5.144 7.289 0.462 1.00 0.00 H new ATOM 0 HA CYS A 47 5.251 6.901 3.375 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.797 4.657 2.157 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.463 5.521 3.645 1.00 0.00 H new ATOM 693 N SER A 48 6.483 4.581 2.844 1.00 0.00 N ATOM 694 CA SER A 48 7.554 3.612 2.483 1.00 0.00 C ATOM 695 C SER A 48 7.036 2.186 2.671 1.00 0.00 C ATOM 696 O SER A 48 6.096 1.946 3.398 1.00 0.00 O ATOM 697 CB SER A 48 8.773 3.844 3.374 1.00 0.00 C ATOM 698 OG SER A 48 9.528 4.935 2.867 1.00 0.00 O ATOM 0 H SER A 48 6.100 4.474 3.783 1.00 0.00 H new ATOM 0 HA SER A 48 7.840 3.755 1.441 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.456 4.051 4.396 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.389 2.945 3.407 1.00 0.00 H new ATOM 0 HG SER A 48 10.309 5.086 3.439 1.00 0.00 H new ATOM 704 N LEU A 49 7.646 1.244 2.012 1.00 0.00 N ATOM 705 CA LEU A 49 7.201 -0.174 2.124 1.00 0.00 C ATOM 706 C LEU A 49 6.795 -0.493 3.555 1.00 0.00 C ATOM 707 O LEU A 49 5.845 -1.207 3.805 1.00 0.00 O ATOM 708 CB LEU A 49 8.365 -1.083 1.747 1.00 0.00 C ATOM 709 CG LEU A 49 8.388 -1.374 0.242 1.00 0.00 C ATOM 710 CD1 LEU A 49 7.639 -0.293 -0.549 1.00 0.00 C ATOM 711 CD2 LEU A 49 9.843 -1.416 -0.220 1.00 0.00 C ATOM 0 H LEU A 49 8.443 1.396 1.393 1.00 0.00 H new ATOM 0 HA LEU A 49 6.349 -0.330 1.462 1.00 0.00 H new ATOM 0 HB2 LEU A 49 9.304 -0.614 2.042 1.00 0.00 H new ATOM 0 HB3 LEU A 49 8.289 -2.020 2.298 1.00 0.00 H new ATOM 0 HG LEU A 49 7.893 -2.328 0.062 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.675 -0.530 -1.612 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.600 -0.255 -0.220 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.109 0.675 -0.377 1.00 0.00 H new ATOM 0 HD21 LEU A 49 9.879 -1.622 -1.290 1.00 0.00 H new ATOM 0 HD22 LEU A 49 10.316 -0.455 -0.019 1.00 0.00 H new ATOM 0 HD23 LEU A 49 10.373 -2.201 0.319 1.00 0.00 H new ATOM 723 N TYR A 50 7.522 0.021 4.490 1.00 0.00 N ATOM 724 CA TYR A 50 7.204 -0.258 5.917 1.00 0.00 C ATOM 725 C TYR A 50 5.799 0.245 6.230 1.00 0.00 C ATOM 726 O TYR A 50 5.057 -0.364 6.973 1.00 0.00 O ATOM 727 CB TYR A 50 8.249 0.412 6.822 1.00 0.00 C ATOM 728 CG TYR A 50 7.859 1.838 7.131 1.00 0.00 C ATOM 729 CD1 TYR A 50 7.007 2.111 8.209 1.00 0.00 C ATOM 730 CD2 TYR A 50 8.353 2.887 6.348 1.00 0.00 C ATOM 731 CE1 TYR A 50 6.650 3.433 8.504 1.00 0.00 C ATOM 732 CE2 TYR A 50 7.997 4.209 6.642 1.00 0.00 C ATOM 733 CZ TYR A 50 7.145 4.483 7.720 1.00 0.00 C ATOM 734 OH TYR A 50 6.794 5.786 8.010 1.00 0.00 O ATOM 0 H TYR A 50 8.328 0.626 4.335 1.00 0.00 H new ATOM 0 HA TYR A 50 7.235 -1.332 6.102 1.00 0.00 H new ATOM 0 HB2 TYR A 50 8.347 -0.152 7.750 1.00 0.00 H new ATOM 0 HB3 TYR A 50 9.223 0.395 6.334 1.00 0.00 H new ATOM 0 HD1 TYR A 50 6.625 1.301 8.813 1.00 0.00 H new ATOM 0 HD2 TYR A 50 9.009 2.677 5.516 1.00 0.00 H new ATOM 0 HE1 TYR A 50 5.993 3.643 9.335 1.00 0.00 H new ATOM 0 HE2 TYR A 50 8.379 5.018 6.037 1.00 0.00 H new ATOM 0 HH TYR A 50 7.224 6.391 7.370 1.00 0.00 H new ATOM 744 N GLN A 51 5.428 1.341 5.649 1.00 0.00 N ATOM 745 CA GLN A 51 4.066 1.885 5.883 1.00 0.00 C ATOM 746 C GLN A 51 3.055 0.994 5.170 1.00 0.00 C ATOM 747 O GLN A 51 2.051 0.598 5.728 1.00 0.00 O ATOM 748 CB GLN A 51 3.979 3.297 5.306 1.00 0.00 C ATOM 749 CG GLN A 51 4.762 4.259 6.194 1.00 0.00 C ATOM 750 CD GLN A 51 4.096 5.636 6.168 1.00 0.00 C ATOM 751 OE1 GLN A 51 4.381 6.447 5.308 1.00 0.00 O ATOM 752 NE2 GLN A 51 3.216 5.938 7.083 1.00 0.00 N ATOM 0 H GLN A 51 6.011 1.890 5.017 1.00 0.00 H new ATOM 0 HA GLN A 51 3.856 1.913 6.952 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.380 3.312 4.293 1.00 0.00 H new ATOM 0 HB3 GLN A 51 2.937 3.611 5.241 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.798 3.880 7.215 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.792 4.335 5.846 1.00 0.00 H new ATOM 0 HE21 GLN A 51 2.977 5.258 7.805 1.00 0.00 H new ATOM 0 HE22 GLN A 51 2.767 6.854 7.077 1.00 0.00 H new ATOM 761 N LEU A 52 3.322 0.671 3.935 1.00 0.00 N ATOM 762 CA LEU A 52 2.384 -0.204 3.180 1.00 0.00 C ATOM 763 C LEU A 52 2.452 -1.614 3.763 1.00 0.00 C ATOM 764 O LEU A 52 1.584 -2.434 3.540 1.00 0.00 O ATOM 765 CB LEU A 52 2.786 -0.236 1.703 1.00 0.00 C ATOM 766 CG LEU A 52 2.556 1.143 1.080 1.00 0.00 C ATOM 767 CD1 LEU A 52 3.904 1.788 0.753 1.00 0.00 C ATOM 768 CD2 LEU A 52 1.741 0.991 -0.206 1.00 0.00 C ATOM 0 H LEU A 52 4.147 0.974 3.418 1.00 0.00 H new ATOM 0 HA LEU A 52 1.368 0.182 3.262 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.834 -0.520 1.607 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.202 -0.988 1.173 1.00 0.00 H new ATOM 0 HG LEU A 52 2.013 1.773 1.785 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.739 2.770 0.309 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.487 1.896 1.668 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.447 1.158 0.049 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.576 1.972 -0.651 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.285 0.361 -0.909 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.780 0.531 0.025 1.00 0.00 H new ATOM 780 N GLU A 53 3.479 -1.896 4.516 1.00 0.00 N ATOM 781 CA GLU A 53 3.607 -3.246 5.126 1.00 0.00 C ATOM 782 C GLU A 53 2.485 -3.438 6.142 1.00 0.00 C ATOM 783 O GLU A 53 2.071 -4.544 6.430 1.00 0.00 O ATOM 784 CB GLU A 53 4.960 -3.363 5.831 1.00 0.00 C ATOM 785 CG GLU A 53 5.096 -4.754 6.450 1.00 0.00 C ATOM 786 CD GLU A 53 5.388 -4.622 7.946 1.00 0.00 C ATOM 787 OE1 GLU A 53 6.061 -3.674 8.317 1.00 0.00 O ATOM 788 OE2 GLU A 53 4.934 -5.470 8.694 1.00 0.00 O ATOM 0 H GLU A 53 4.235 -1.248 4.735 1.00 0.00 H new ATOM 0 HA GLU A 53 3.539 -4.009 4.351 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.768 -3.189 5.120 1.00 0.00 H new ATOM 0 HB3 GLU A 53 5.046 -2.600 6.604 1.00 0.00 H new ATOM 0 HG2 GLU A 53 4.179 -5.323 6.297 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.899 -5.305 5.959 1.00 0.00 H new ATOM 795 N ASN A 54 1.987 -2.363 6.684 1.00 0.00 N ATOM 796 CA ASN A 54 0.887 -2.471 7.680 1.00 0.00 C ATOM 797 C ASN A 54 -0.457 -2.497 6.953 1.00 0.00 C ATOM 798 O ASN A 54 -1.482 -2.795 7.532 1.00 0.00 O ATOM 799 CB ASN A 54 0.934 -1.271 8.627 1.00 0.00 C ATOM 800 CG ASN A 54 1.691 -1.654 9.899 1.00 0.00 C ATOM 801 OD1 ASN A 54 1.200 -2.421 10.705 1.00 0.00 O ATOM 802 ND2 ASN A 54 2.877 -1.152 10.115 1.00 0.00 N ATOM 0 H ASN A 54 2.295 -1.412 6.480 1.00 0.00 H new ATOM 0 HA ASN A 54 1.007 -3.389 8.255 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.424 -0.428 8.139 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -0.078 -0.951 8.876 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.391 -1.403 10.959 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.289 -0.509 9.439 1.00 0.00 H new ATOM 809 N TYR A 55 -0.463 -2.190 5.683 1.00 0.00 N ATOM 810 CA TYR A 55 -1.743 -2.204 4.925 1.00 0.00 C ATOM 811 C TYR A 55 -1.951 -3.604 4.341 1.00 0.00 C ATOM 812 O TYR A 55 -2.899 -3.859 3.625 1.00 0.00 O ATOM 813 CB TYR A 55 -1.664 -1.179 3.792 1.00 0.00 C ATOM 814 CG TYR A 55 -1.846 0.206 4.369 1.00 0.00 C ATOM 815 CD1 TYR A 55 -2.856 0.450 5.307 1.00 0.00 C ATOM 816 CD2 TYR A 55 -0.984 1.242 3.982 1.00 0.00 C ATOM 817 CE1 TYR A 55 -3.006 1.730 5.857 1.00 0.00 C ATOM 818 CE2 TYR A 55 -1.134 2.521 4.529 1.00 0.00 C ATOM 819 CZ TYR A 55 -2.145 2.766 5.469 1.00 0.00 C ATOM 820 OH TYR A 55 -2.293 4.026 6.012 1.00 0.00 O ATOM 0 H TYR A 55 0.362 -1.931 5.141 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.576 -1.952 5.582 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.702 -1.252 3.284 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.434 -1.381 3.047 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.519 -0.348 5.607 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.203 1.052 3.261 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.785 1.919 6.580 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.472 3.319 4.227 1.00 0.00 H new ATOM 0 HH TYR A 55 -1.615 4.626 5.636 1.00 0.00 H new ATOM 830 N CYS A 56 -1.059 -4.514 4.644 1.00 0.00 N ATOM 831 CA CYS A 56 -1.181 -5.900 4.114 1.00 0.00 C ATOM 832 C CYS A 56 -2.132 -6.715 4.993 1.00 0.00 C ATOM 833 O CYS A 56 -2.844 -6.176 5.816 1.00 0.00 O ATOM 834 CB CYS A 56 0.199 -6.559 4.123 1.00 0.00 C ATOM 835 SG CYS A 56 0.964 -6.361 2.499 1.00 0.00 S ATOM 0 H CYS A 56 -0.247 -4.352 5.240 1.00 0.00 H new ATOM 0 HA CYS A 56 -1.575 -5.865 3.098 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.826 -6.106 4.891 1.00 0.00 H new ATOM 0 HB3 CYS A 56 0.108 -7.617 4.369 1.00 0.00 H new ATOM 840 N ASN A 57 -2.144 -8.011 4.820 1.00 0.00 N ATOM 841 CA ASN A 57 -3.043 -8.877 5.639 1.00 0.00 C ATOM 842 C ASN A 57 -3.060 -8.380 7.086 1.00 0.00 C ATOM 843 O ASN A 57 -4.140 -8.116 7.589 1.00 0.00 O ATOM 844 CB ASN A 57 -2.531 -10.318 5.604 1.00 0.00 C ATOM 845 CG ASN A 57 -1.103 -10.368 6.150 1.00 0.00 C ATOM 846 OD1 ASN A 57 -0.320 -9.468 5.919 1.00 0.00 O ATOM 847 ND2 ASN A 57 -0.728 -11.391 6.869 1.00 0.00 N ATOM 848 OXT ASN A 57 -1.992 -8.272 7.667 1.00 0.00 O ATOM 0 H ASN A 57 -1.566 -8.509 4.143 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.053 -8.836 5.231 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -3.181 -10.960 6.198 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.554 -10.698 4.583 1.00 0.00 H new ATOM 0 HD21 ASN A 57 0.222 -11.435 7.237 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.385 -12.146 7.063 1.00 0.00 H new TER 855 ASN A 57